UCSF

ZINC60700602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 6.77 -43.79 3 2 1 41 282.194 3
Mid Mid (pH 6-8) 2.13 6.46 -4.18 2 2 0 39 281.186 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )